ABT-199 structure, CAS 1257044-40-8

ABT-199

CAS Number1257044-40-8

SynonymsGDC 0199; unii-n54aic43pw; ABT 199; gdc0199; cs-1155; ABT199; ABT-199; Venetoclax

Molecular FormulaC45H50ClN7O7S

Molecular Weight868.439

Purity

Density1.3±0.1 g/cm3

Boiling Point

Melting Point

Flash Point

Appearance

EINECS

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Symbol

Signal Word

Cat. No.: 2A-1170828 Purity:
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Quality Control of [ 1257044-40-8 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number1257044-40-8
Catalog No.2A-1170828
Chinese Name维纳妥拉(ABT-199)
SynonymsGDC 0199; unii-n54aic43pw; ABT 199; gdc0199; cs-1155; ABT199; ABT-199; Venetoclax
Molecular FormulaC45H50ClN7O7S
Molecular Weight868.439
Density1.3±0.1 g/cm3
Water SolubilityInsuluble (6.3E-6 g/L) (25 ºC)
Storage Condition-20°C
ApplicationVenetoclax (GDC-0199; ABT-199) is a highly potent, selective and orally active Bcl-2 inhibitor with Ki less than 0.01 nM.
PubChem ID85332829
SMILESCC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
InChI KeyLQBVNQSMGBZMKD-UHFFFAOYSA-N
Transport InfoProduct name: ABT-199 (GDC-0199)
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